2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide

C10H20N2O — CID 87120192

IUPAC2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=C(CNCC)C(=O)NCC(C)C
InChIInChI=1S/C10H20N2O/c1-5-11-7-9(4)10(13)12-6-8(2)3/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyIBXFLIBTWZKWBC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.92
Rot. Bonds6

About 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide

2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 87120192) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID87120192
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=C(CNCC)C(=O)NCC(C)C
InChIInChI=1S/C10H20N2O/c1-5-11-7-9(4)10(13)12-6-8(2)3/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyIBXFLIBTWZKWBC-UHFFFAOYSA-N
XLogP0.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide (CID 87120192) is 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide is C=C(CNCC)C(=O)NCC(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is IBXFLIBTWZKWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-11-7-9(4)10(13)12-6-8(2)3/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide?
2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 87120192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).